1,4,5-trimethyl-3-pyrrolidin-3-ylbenzimidazol-2-one

C14H19N3O — CID 84632027

IUPAC1,4,5-trimethyl-3-pyrrolidin-3-ylbenzimidazol-2-one
SMILESCc1ccc2c(c1C)n(C1CCNC1)c(=O)n2C
InChIInChI=1S/C14H19N3O/c1-9-4-5-12-13(10(9)2)17(14(18)16(12)3)11-6-7-15-8-11/h4-5,11,15H,6-8H2,1-3H3
InChIKeyGJBCUQIYIHPGMJ-UHFFFAOYSA-N
MW245.33 g/mol
LogP1.49
Rot. Bonds1

About 1,4,5-trimethyl-3-pyrrolidin-3-ylbenzimidazol-2-one

1,4,5-trimethyl-3-pyrrolidin-3-ylbenzimidazol-2-one (PubChem CID 84632027) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 1,4,5-trimethyl-3-pyrrolidin-3-ylbenzimidazol-2-one.

Molecular Properties

Compound Name1,4,5-trimethyl-3-pyrrolidin-3-ylbenzimidazol-2-one
PubChem CID84632027
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name1,4,5-trimethyl-3-pyrrolidin-3-ylbenzimidazol-2-one
SMILESCc1ccc2c(c1C)n(C1CCNC1)c(=O)n2C
InChIInChI=1S/C14H19N3O/c1-9-4-5-12-13(10(9)2)17(14(18)16(12)3)11-6-7-15-8-11/h4-5,11,15H,6-8H2,1-3H3
InChIKeyGJBCUQIYIHPGMJ-UHFFFAOYSA-N
XLogP1.49
TPSA38.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-3-[(3S)-pyrrolidin-3-yl]benzimidazol-2-one
CID 162422973
6-chloro-1,4-dimethyl-3-pyrrolidin-3-ylbenzimidazol-2-one
CID 84640105
3-methyl-2-oxo-1-pyrrolidin-3-ylbenzimidazole-5-carboxylic acid
CID 84638551
7-hydroxy-1-methyl-3-pyrrolidin-3-ylquinazoline-2,4-dione
CID 117262818
6-hydroxy-1-methyl-3-pyrrolidin-3-ylquinazoline-2,4-dione
CID 117262488
5-chloro-1-methyl-3-pyrrolidin-3-ylquinazoline-2,4-dione
CID 117262113
1-methyl-3-(1-pyrrolidin-3-ylpiperidin-4-yl)benzimidazol-2-one
CID 141196674
7-methoxy-1-methyl-3-pyrrolidin-3-ylquinazoline-2,4-dione
CID 117262819
4,6-difluoro-3-methyl-1-pyrrolidin-3-ylbenzimidazol-2-one
CID 84634890
1,6,7-trimethyl-2-pyrrolidin-3-ylindole
CID 84625616
1,7,8-trimethyl-3-pyrrolidin-3-ylquinolin-2-one
CID 84636026
1,8-dimethyl-3-piperidin-4-ylquinazoline-2,4-dione
CID 117263130

Frequently Asked Questions

What is the IUPAC name of 1,4,5-trimethyl-3-pyrrolidin-3-ylbenzimidazol-2-one?
The IUPAC name of 1,4,5-trimethyl-3-pyrrolidin-3-ylbenzimidazol-2-one (CID 84632027) is 1,4,5-trimethyl-3-pyrrolidin-3-ylbenzimidazol-2-one.
What is the SMILES notation for 1,4,5-trimethyl-3-pyrrolidin-3-ylbenzimidazol-2-one?
The canonical SMILES for 1,4,5-trimethyl-3-pyrrolidin-3-ylbenzimidazol-2-one is Cc1ccc2c(c1C)n(C1CCNC1)c(=O)n2C.
What is the InChIKey of 1,4,5-trimethyl-3-pyrrolidin-3-ylbenzimidazol-2-one?
The InChIKey is GJBCUQIYIHPGMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-9-4-5-12-13(10(9)2)17(14(18)16(12)3)11-6-7-15-8-11/h4-5,11,15H,6-8H2,1-3H3.
What are the key properties of 1,4,5-trimethyl-3-pyrrolidin-3-ylbenzimidazol-2-one?
1,4,5-trimethyl-3-pyrrolidin-3-ylbenzimidazol-2-one has a molecular weight of 245.33 g/mol, XLogP of 1.49, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,5-trimethyl-3-pyrrolidin-3-ylbenzimidazol-2-one is sourced from PubChem (CID 84632027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).